Molecular Modeling of the Sensitivities of Energetic Materials

Written By Didier Mathieu
Molecular Modeling of the Sensitivities of Energetic Materials
  • Publsiher : Elsevier
  • Release : 15 June 2021
  • ISBN : 9780128229712
  • Pages : 265 pages
  • Rating : 4/5 from 21 reviews
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Read or download book entitled Molecular Modeling of the Sensitivities of Energetic Materials written by Didier Mathieu which was release on 15 June 2021, this book published by Elsevier. Available in PDF, EPUB and Kindle Format. Book excerpt: The strict safety requirements associated with experimental studies of energetic materials warrant a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity, leading to a lot of experimental data in this area. Modern machine learning techniques, new physics-based models, and new reactive molecular dynamics and multiscale simulation methods have subsequently led to quantitative procedures applicable to large datasets and yielded valuable insight into the underlying initiation mechanisms. Molecular Modeling of the Sensitivities of Energetic Materials highlights these latest developments. Beginning with an introduction to experimental aspects in Part 1, Parts 2 and 3 then explore relationships between sensitivity, molecular structure and crystal structure, before going on to discuss insights from numerical simulations in Part 4. Part 5 then highlights applications of these approaches to the design of new materials. Providing practical guidelines for implementing predictive models and their application to the search for new compounds, Molecular Modeling of the Sensitivities of Energetic Materials is an authoritative guide to this exciting field of research. Highlights a range of approaches for computational simulation and highlights the importance of combining these in order to accurately understand or estimate different parameters Provides an overview of experimental findings and knowledge in a quick, accessible format Presents guidelines to implement sensitivity models using open-source python related software, supporting easy implementation of flexible models and allowing fast assessment of hypotheses

Molecular Modeling of the Sensitivities of Energetic Materials

Molecular Modeling of the Sensitivities of Energetic Materials
  • Author : Didier Mathieu
  • Publisher : Elsevier
  • Release Date : 2021-06-15
  • Total pages : 265
  • ISBN : 9780128229712
GET BOOK

Summary : The strict safety requirements associated with experimental studies of energetic materials warrant a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. Much recent effort has been put ...

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  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1993
  • Total pages : 212
  • ISBN : 9780128229712
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  • Publisher : Unknown
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  • Publisher : Unknown
  • Release Date : 2006
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  • ISBN : 9780128229712
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  • Publisher : Unknown
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  • Publisher : Unknown
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  • ISBN : 9780128229712
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Summary : Energetic materials are distinguished from other materials primarily by the fact that rapid, exothermic reactions can be induced with the release of gaseous products. This complex phenomenon cuts across many boundaries of chemistry (synthesis, kinetics, thermodynamics, spectroscopy, quantum and molecular dynamics calculations, etc.) and engineering physics (shock and detonation waves, ...

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Summary : This collection of 336 papers discusses recent research on the response of inert and energetic materials to high-pressure environments produced by rapid loading phenomena. This includes theoretical, computational (modeling/simulation) and experimental studies of inert and energetic materials, as well as ballistic and material synthesis studies and advances in experimental techniques. ...

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  • Author : New York Public Library
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Summary : Download or read online New Technical Books written by New York Public Library, published by which was released on 1991. Get New Technical Books Books now! Available in PDF, ePub and Kindle....

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Summary : Download or read online Bulletin of the Korean Chemical Society written by , published by which was released on 2005. Get Bulletin of the Korean Chemical Society Books now! Available in PDF, ePub and Kindle....